3-amino-4-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide

C13H20N2O2S — CID 63982400

IUPAC3-amino-4-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide
SMILESCOc1ccc(C(=O)NCC(C)CSC)cc1N
InChIInChI=1S/C13H20N2O2S/c1-9(8-18-3)7-15-13(16)10-4-5-12(17-2)11(14)6-10/h4-6,9H,7-8,14H2,1-3H3,(H,15,16)
InChIKeyQQKLXMXRWTYSBU-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.01
Rot. Bonds6

About 3-amino-4-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide

3-amino-4-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide (PubChem CID 63982400) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide
PubChem CID63982400
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-amino-4-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide
SMILESCOc1ccc(C(=O)NCC(C)CSC)cc1N
InChIInChI=1S/C13H20N2O2S/c1-9(8-18-3)7-15-13(16)10-4-5-12(17-2)11(14)6-10/h4-6,9H,7-8,14H2,1-3H3,(H,15,16)
InChIKeyQQKLXMXRWTYSBU-UHFFFAOYSA-N
XLogP2.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63982617
3-(3-hydroxyprop-1-ynyl)-4-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63960550
3-amino-4-methoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112656487
3-amino-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 43567615
3-amino-N-(2-hydroxy-2-phenylethyl)-4-methoxybenzamide
CID 43498531
3-amino-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63981976
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
2-amino-5-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63983695
3-amino-4-methoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 82070538
3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
CID 16788362
3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide
CID 28690052
3-amino-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43131167

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide?
The IUPAC name of 3-amino-4-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide (CID 63982400) is 3-amino-4-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide.
What is the SMILES notation for 3-amino-4-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide?
The canonical SMILES for 3-amino-4-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide is COc1ccc(C(=O)NCC(C)CSC)cc1N.
What is the InChIKey of 3-amino-4-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide?
The InChIKey is QQKLXMXRWTYSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9(8-18-3)7-15-13(16)10-4-5-12(17-2)11(14)6-10/h4-6,9H,7-8,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-4-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide?
3-amino-4-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide has a molecular weight of 268.38 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide is sourced from PubChem (CID 63982400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).